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Quantum-Classical Effective Fragment Potential Embedding for Condensed-Phase Quantum Chemistry

Zahariev, Federico et al.
arXiv (All) · Papers
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chemical-physicsquantum-physics
Quantum simulation of chemistry in realistic environments is constrained by the orbital cost of explicit solvent, ions, and other surroundings. We present the quantum-classical effective fragment potential (Q-EFP) method, in which a chemically active region is treated with a quantum algorithm and th
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